Sodium dodecyl sulfate

ChemSpider ID: 8677
Molecular Formula: C₁₂H₂₅NaO₄S
Average mass: 288.379303 Da
Monoisotopic mass: 288.137115 Da
Systematic name

Sodium dodecyl sulfate
SMILES and InChIs

SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] Copied

Std. InChI:

InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1 Copied

Std. InChIKey:

DBMJMQXJHONAFJ-UHFFFAOYSA-M Copied
Cite this record
CSID:8677, http://www.chemspider.com/Chemical-Structure.8677.html (accessed 18:56, Jul 31, 2014) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Sodium dodecyl sulfate [ACD/IUPAC Name] [Wiki]

Dodecyl sulfate sodium salt

Lauryl sodium sulfate

Lauryl Sulfate Sodium

Lauryl sulfate sodium salt

Lauryl Sulfate, Sodium

Lauryl sulfate, sodium salt

Natriumdodecylsulfat [German] [ACD/IUPAC Name]

n-Dodecyl sulfate sodium

n-Dodecyl sulfate sodium salt

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

05030_FLUKA [DBID]

436143_SIAL [DBID]

62862_RIEDEL [DBID]

71717_FLUKA [DBID]

71725_FLUKA [DBID]

71726_FLUKA [DBID]

71729_FLUKA [DBID]

71736_FLUKA [DBID]

AI3-00356 [DBID]

Berol 452 [DBID]

More...

Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Melting Point:

206 °C Alfa Aesar

204-207 °C Oxford University Chemical Safety Data (No longer updated) More details

206 °C Alfa Aesar A11183

Miscellaneous

Appearance:

white crystalline powder Oxford University Chemical Safety Data (No longer updated) More details

Toxicity:

ORL-RAT LD50 1300 mg kg-1 , IVN-MUS LD50 118 mg kg-1 , IPR-RAT LD50 210 mg kg-1 , IVN-RAT LD50 118 mg kg-1 , IPR-MUS LD50 250 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details

Safety:

11-21/22-36/37/38 Alfa Aesar A11183

26-36/37-60 Alfa Aesar A11183

CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A11183

WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A11183

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Want to comment
on this record?

Sodium dodecyl sulfate

SMILES:

Std. InChI:

Std. InChIKey:

Names and Identifiers

ChemSpider Searches

Search ChemSpider for:

Search external sites for this structure:

Properties

Spectra

CIFs

Articles

Chemical Vendors

Data Sources

Wikipedia Article(s)

Patents

RSC Databases

Medical Subject Headings Classification

Pharmacological Links

Want to commenton this record?

Sodium dodecyl sulfate

SMILES:

Std. InChI:

Std. InChIKey:

Search ChemSpider for:

Search external sites for this structure:

Want to comment
on this record?